SCHEMBL29633947

SCHEMBL29633947

c1ccc2c(-c3ccc4sc5ccccc5c4c3)onc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ IP6K1 Q92551 8/20 0.40
▸ IP6K3 Q96PC2 6/20 0.40
▸ IP6K2 Q9UHH9 6/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TSHR P16473 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20706794 0.76 GPR3 (0.67) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL14410443 0.76 GPR3 (0.67) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL15836057 0.76 GPR3 (0.67) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL15836028 0.76 GPR3 (0.67) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL29633998 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDIP6K1IP6K3
SCHEMBL17827365 0.73 GPR3 (0.61) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL15836060 0.73 GPR3 (0.61) GPR3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL31001160 0.72 ALDH1A1 (0.46) GPR3ALDH1A1SMN1; SMN2HPGDIP6K1
SCHEMBL15501952 0.72 GPR3 (0.54) GPR3ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL20821592 0.71 GPR3 (0.58) GPR3ALDH1A1SMN1; SMN2HPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214178-B 3-aryl substituted anthranilic anhydride derivative and preparation method thereof 广东工业大学 2022-05-13 — — CN disclosed
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